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Inversion d'un système par krigeage : application à la synthèse des catalyseurs à haut débit

Abstract : This work deals with the modeling of the synthesis process for catalyst supports obtained by a chemical reaction involving silica and alumina. The process is characterized by 5 inputs and 2 outputs (specific surface and mesoporous volume of the support). Each pair of output values has a potential application and the ultimate objective is to be able to find input values associated with the synthesis of a catalyst having any given output characteristics (surface, volume). The ranges of the two outputs are unknown. The quantity of runs available is too small to build a satisfactory model over the whole input domain. We thus combine design of experiments and kriging modeling in a way that ensures both a limited dispersion of the input factors and a good exploration of the reachable output domain. The runs are designed sequentially, using the information provided by former runs through their associated kriging model. This sequential construction seems more efficient than the design of a non-sequential experiment containing the total amount of available runs. Several criteria are proposed for sequential design which favor a high dispersion of the corresponding outputs and take the uncertainties associated with the kriging model into account. The two most appealing are tested on simulated data in order to check the dispersion of outputs; one is based on minimax distance and the other on entropy. Basic properties of Gaussian processes, regression/interpolation by kriging and links with other methods such as splines and SVMs are reminded, together with standard methods for designing experiments, with the objective of combining rigor and clarity.
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https://tel.archives-ouvertes.fr/tel-00460162
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Submitted on : Friday, February 26, 2010 - 1:47:11 PM
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Régis Bettinger. Inversion d'un système par krigeage : application à la synthèse des catalyseurs à haut débit. Modélisation et simulation. Université de Nice Sophia Antipolis, 2009. Français. ⟨tel-00460162⟩

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